2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol

C17H21FN4O — CID 5091019

IUPAC2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(-c2ccccc2F)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C17H21FN4O/c1-13-19-16(14-4-2-3-5-15(14)18)12-17(20-13)22-8-6-21(7-9-22)10-11-23/h2-5,12,23H,6-11H2,1H3
InChIKeyRMWNDSRCQQHRFC-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 5091019) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID5091019
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(-c2ccccc2F)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C17H21FN4O/c1-13-19-16(14-4-2-3-5-15(14)18)12-17(20-13)22-8-6-21(7-9-22)10-11-23/h2-5,12,23H,6-11H2,1H3
InChIKeyRMWNDSRCQQHRFC-UHFFFAOYSA-N
XLogP1.71
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol (CID 5091019) is 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1nc(-c2ccccc2F)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is RMWNDSRCQQHRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-13-19-16(14-4-2-3-5-15(14)18)12-17(20-13)22-8-6-21(7-9-22)10-11-23/h2-5,12,23H,6-11H2,1H3.
What are the key properties of 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 316.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 5091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).